(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine

C13H14FNOS — CID 43464532

IUPAC(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1sccc1C
InChIInChI=1S/C13H14FNOS/c1-8-5-6-17-13(8)12(15)10-7-9(14)3-4-11(10)16-2/h3-7,12H,15H2,1-2H3
InChIKeyWWPASFLJPFMMRW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.25
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine

(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 43464532) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID43464532
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1sccc1C
InChIInChI=1S/C13H14FNOS/c1-8-5-6-17-13(8)12(15)10-7-9(14)3-4-11(10)16-2/h3-7,12H,15H2,1-2H3
InChIKeyWWPASFLJPFMMRW-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine (CID 43464532) is (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine is COc1ccc(F)cc1C(N)c1sccc1C.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is WWPASFLJPFMMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8-5-6-17-13(8)12(15)10-7-9(14)3-4-11(10)16-2/h3-7,12H,15H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
(5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43464532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).